3RND
W116I-OYE1 complexed with 2-(Hydroxymethyl)-cyclopent-2-enone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 173 |
| Detector technology | PIXEL |
| Collection date | 2011-04-12 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.10 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 141.180, 141.180, 42.789 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.645 - 1.400 |
| R-factor | 0.151 |
| Rwork | 0.150 |
| R-free | 0.16840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oya |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.136 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.240 |
| Rmerge | 0.067 |
| Number of reflections | 585768 |
| <I/σ(I)> | 18 |
| Redundancy | 12.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 277 | 0.1M hepes, 35% PEG 400, 0.2M Mg2Cl2, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
